N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide
TL;DR: N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide (CAS 796103-20-3) is a chemical compound with molecular formula C16H26N4O3S and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide
Also Known As: N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide, N-(6-amino-1-butyl-2,4-diketo-3-methyl-pyrimidine-5-carbothioyl)-3,3-dimethyl-butyramide, N-(6-amino-1-butyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioyl)-3,3-dimethylbutanamide, N-[(6-amino-1-butyl-3-methyl-2,4-dioxo-5-pyrimidinyl)-sulfanylidenemethyl]-3,3-dimethylbutanamide, N-[6-azanyl-1-butyl-3-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbothioyl-3,3-dimethyl-butanamide
| Molecular Formula | C16H26N4O3S |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 1.1572 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.17258 |
| Heavy Atoms | 24 |
| Complexity | 756.3019 |
Chemical Identifiers
| CAS Number | 796103-20-3 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)CC(C)(C)C)N |
Product Overview
N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide (CAS 796103-20-3), with molecular formula C16H26N4O3S and molecular weight 354.17 g/mol. IUPAC: N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide.
Chemical Property Profile of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide
Property Insights of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide
The XLogP value of 1.1572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide. Following Lipinski's Rule of Five, N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide?
The CAS number of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide is 796103-20-3.
What is the molecular formula of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide?
The molecular formula of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide is C16H26N4O3S.
What is the molecular weight of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide?
The molecular weight of N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide is 354.17 g/mol.
Where can I buy N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide?
You can request a quote for N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)-3,3-dimethylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.